(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-bromo-3-(4-methylpiperidino)sulfonyl-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C19H25BrN2O5S MolecularWeight: 473.3812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCC3)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCC3)Br

InChI

InChI=1S/C19H25BrN2O5S/c1-14-6-10-22(11-7-14)28(25,26)17-12-15(4-5-16(17)20)19(24)27-13-18(23)21-8-2-3-9-21/h4-5,12,14H,2-3,6-11,13H2,1H3